(1s 2 2s 2 2p 1 5s 1 ) 1 P N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1150.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5s- electron | |
| 1 | 1s | 6.200127 | .03092340 |
| 2 | 2s | 1.681764 | -.18236694 |
| 3 | 3s | .911957 | .68892007 |
| 4 | 4s | .480606 | -1.35218455 |
| 5 | 5s | .473192 | 2.63687853 |
| 6 | 5s | .682456 | -1.21252632 |
| 7 | 4s | 5.227309 | -.01291628 |
| 8 | 5s | 17.694203 | .00006800 |
| ORB.ENERGY,a.u. | -.108360 | ||
| NORM | 1.000003 | < R > | 13.892507 | < R2 > | 216.070138 | < 1/R > | .098939 | < 1/R**2 > | .079142 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.065105 | .83581038 |
| 2 | 2p | 3.532758 | .17476250 |
| 3 | 2p | 7.876052 | .00953326 |
| 4 | 3p | 3.167535 | .00075079 |
| 5 | 4p | 1.863602 | .01455562 |
| 6 | 4p | 12.097216 | -.00063216 |
| ORB.ENERGY,a.u. | -1.641300 | ||
| NORM | 1.000000 | < R > | 1.121576 | < R2 > | 1.547007 | < 1/R > | 1.150149 | < 1/R**2 > | 1.838801 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.418385 | .26842218 |
| 2 | 2s | 2.020535 | -.75537075 |
| 3 | 3s | 3.379555 | -.27567127 |
| 4 | 4s | 10.513238 | .00459025 |
| 5 | 5s | 6.979665 | -.02942243 |
| 6 | 4s | 1.915216 | .02110620 |
| 7 | 5s | .626447 | -.01036868 |
| 8 | 5s | 11.397150 | -.00420215 |
| 9 | 5s | .476297 | .01154543 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.178507 | < R2 > | 1.645535 | < 1/R > | 1.211910 | < 1/R**2 > | 5.934179 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.252109 | .70946355 |
| 2 | 1s | 9.330472 | .22671208 |
| 3 | 1s | 3.282529 | .00609163 |
| 4 | 2s | 7.133319 | .08429693 |
| 5 | 3s | 7.685527 | -.01455762 |
| 6 | 4s | 13.048493 | .00511570 |
| 7 | 5s | .259592 | -.00021159 |
| 8 | 5s | 54.584898 | -.00001259 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227673 | < R2 > | .069794 | < 1/R > | 6.663844 | < 1/R**2 > | 90.054835 |
Total Energy= -52.92528838 a.u.
Kinetic Energy= 52.92412644 a.u.
Potential Energy= -105.84941482 a.u.
Virial Ratio = -2.00002195